CID 137949931

2171901-34-9

Structural Information

Molecular Formula
C13H21NO2
SMILES
COC(=O)C1C2CCC1(C2)C3CCCNC3
InChI
InChI=1S/C13H21NO2/c1-16-12(15)11-9-4-5-13(11,7-9)10-3-2-6-14-8-10/h9-11,14H,2-8H2,1H3
InChIKey
PAFDKGGSLBRPIA-UHFFFAOYSA-N
Compound name
methyl 1-piperidin-3-ylbicyclo[2.1.1]hexane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.15723 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.16451 149.1
[M+Na]+ 246.14645 151.3
[M+NH4]+ 241.19105 155.7
[M+K]+ 262.12039 149.8
[M-H]- 222.14995 144.9
[M+Na-2H]- 244.13190 145.8
[M]+ 223.15668 146.8
[M]- 223.15778 146.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.